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Compound Detail

CHEMBL52599

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O=C(O)c1ccc(C(=O)Nc2ccc3c(COc4cccc(C(F)(F)F)c4)cccc3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL52599
Phase Preclinical
Structure Type MOL
InChI Key ZQHCOTFFPLNEHD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

465.4
MW (Da)
6.39
ALogP
3
HBA
2
HBD
75.6
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H18F3NO4
MW 465.43
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.18

Activity Summary

IC50 1 meas. best 7.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Capsid scaffolding protein
CHEMBL3771
 IC50 7.82 7.82 15.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Capsid scaffolding protein IC50 = 15.2 nM 7.82 Inhibitory concentration against HCMV protease. 15055990

Literature References

PubMed DOI Target Context # Activities
15055990 10.1021/jm030540h Capsid scaffolding protein 1

Data from ChEMBL 36 via Core Engine